5-FLUORO-2-METHYLBENZOTHIAZOLE(399-75-7) MS
Product Name5-FLUORO-2-METHYLBENZOTHIAZOLE
CAS399-75-7
Molecular FormulaC8H6FNS
Molecular Weight167.2
InChIInChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey LDBFGRGBYVULTJ-UHFFFAOYSA-N
SmilesS1C2=CC=C(F)C=C2N=C1C
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MassMS-IW-4766 5-fluoro-2-methylbenzothiazole C8H6FNS (Mass of molecular ion: 167)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
45.0 4.4 50.0 1.0 57.0 3.5 58.0 1.2 62.0 1.5 63.0 5.8 69.0 13.0 70.0 1.3 76.0 1.7 81.0 6.3 82.0 4.2 83.0 3.5 83.5 4.3 87.0 1.8 93.0 2.5 94.0 1.2 95.0 1.6 96.0 1.6 100.0 2.5 106.0 1.2 107.0 1.1 108.0 1.4 122.0 4.3 125.0 1.0 126.0 39.0 127.0 8.1 128.0 2.2 134.0 2.4 135.0 5.7 139.0 4.9 140.0 2.3 153.0 1.8 166.0 20.1 167.0 100.0 168.0 10.7 169.0 4.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H6 F N S 0.05 ml : 0.5 ml CDCl3 5-fluoro-2-methylbenzothiazole 
Assign. Shift(ppm)
A 7.681 B 7.614 C 7.078 D 2.792
Hz ppm Int.3077.27 7.700 121 3076.78 7.699 124 3072.14 7.688 121 3071.66 7.686 129 3068.48 7.678 131 3067.99 7.677 132 3063.35 7.666 127 3062.87 7.664 132 3049.32 7.630 114 3046.75 7.624 116 3039.79 7.607 114 3037.23 7.600 115 2838.75 7.104 79 2836.18 7.097 77 2829.96 7.082 145 2827.39 7.075 139 2821.17 7.060 73 2818.60 7.053 71 1116.09 2.793 1000 1112.06 2.783 43
in CDCl3
liquid film
